U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O
Molecular Weight 178.2707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5,5-trimethyl-4-propan-2-ylidenecyclohex-2-en-1-one

SMILES

CC(C)=C1C(C)=CC(=O)CC1(C)C

InChI

InChIKey=MTLGZOPMHYWXRN-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-8(2)11-9(3)6-10(13)7-12(11,4)5/h6H,7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C12H18O
Molecular Weight 178.2707
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:48:39 GMT 2025
Edited
by admin
on Mon Mar 31 22:48:39 GMT 2025
Record UNII
M7EMW55289
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5,5-trimethyl-4-propan-2-ylidenecyclohex-2-en-1-one
Systematic Name English
4-Isopropylidene-3,5,5-trimethylcyclohex-2-en-1-one
Preferred Name English
3,5,5-Trimethyl-4-(propan-2-ylidene)cyclohex-2-en-1-one
Systematic Name English
2-Cyclohexen-1-one, 4-isopropylidene-3,5,5-trimethyl-
Systematic Name English
Isoxylitone
Common Name English
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(1-methylethylidene)-
Systematic Name English
?-Isoxylitone
Common Name English
Code System Code Type Description
FDA UNII
M7EMW55289
Created by admin on Mon Mar 31 22:48:39 GMT 2025 , Edited by admin on Mon Mar 31 22:48:39 GMT 2025
PRIMARY
CAS
4705-09-3
Created by admin on Mon Mar 31 22:48:39 GMT 2025 , Edited by admin on Mon Mar 31 22:48:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID70197012
Created by admin on Mon Mar 31 22:48:39 GMT 2025 , Edited by admin on Mon Mar 31 22:48:39 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-188-3
Created by admin on Mon Mar 31 22:48:39 GMT 2025 , Edited by admin on Mon Mar 31 22:48:39 GMT 2025
PRIMARY
PUBCHEM
78433
Created by admin on Mon Mar 31 22:48:39 GMT 2025 , Edited by admin on Mon Mar 31 22:48:39 GMT 2025
PRIMARY